5-[3-cyano-8-(4-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-cyano-8-(4-fluoranylphenoxy)-2-methyl-7-piperazin-1-yl-octan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-6-(4-fluorophenoxy)-1-isopropyl-5-piperazin-1-yl-hexyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-8-(4-fluorophenoxy)-2-methyl-7-(1-piperazinyl)octan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-8-(4-fluorophenoxy)-2-methyl-7-piperazin-1-yloctan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-6-(4-fluorophenoxy)-1-isopropyl-5-piperazino-hexyl]thiophene-2-carbonitrile Formula: C25H31FN4OS MolecularWeight: 454.603243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H31FN4OS/c1-19(2)25(18-28,24-10-9-23(16-27)32-24)11-3-4-21(30-14-12-29-13-15-30)17-31-22-7-5-20(26)6-8-22/h5-10,19,21,29H,3-4,11-15,17H2,1-2H3